1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide

C19H21N3O3S — CID 71703823

IUPAC1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide
SMILESCC(C)n1ccc2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc21
InChIInChI=1S/C19H21N3O3S/c1-13(2)22-10-9-15-11-16(5-8-18(15)22)19(23)21-12-14-3-6-17(7-4-14)26(20,24)25/h3-11,13H,12H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyYDHRTLFPKZXZKE-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.80
Rot. Bonds5

About 1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide

1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide (PubChem CID 71703823) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide
PubChem CID71703823
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide
SMILESCC(C)n1ccc2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc21
InChIInChI=1S/C19H21N3O3S/c1-13(2)22-10-9-15-11-16(5-8-18(15)22)19(23)21-12-14-3-6-17(7-4-14)26(20,24)25/h3-11,13H,12H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyYDHRTLFPKZXZKE-UHFFFAOYSA-N
XLogP2.80
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783651
2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 77087766
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-5-carboxamide
CID 18447408
4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2566555
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
N-[(6-methoxynaphthalen-2-yl)methyl]-4-sulfamoylbenzamide
CID 41287032
1-tert-butyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
CID 110699008
3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761105
2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 28934838
3-bromo-4-(3-methylbutoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783616

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide (CID 71703823) is 1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide is CC(C)n1ccc2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc21.
What is the InChIKey of 1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide?
The InChIKey is YDHRTLFPKZXZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13(2)22-10-9-15-11-16(5-8-18(15)22)19(23)21-12-14-3-6-17(7-4-14)26(20,24)25/h3-11,13H,12H2,1-2H3,(H,21,23)(H2,20,24,25).
What are the key properties of 1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide?
1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide is sourced from PubChem (CID 71703823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).